(2S)-2-azanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one

Systemtic Name: (2S)-2-azanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one Openeye Name: (2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfanyl-butan-1-one CAS Name: (2S)-2-amino-1-[4-(4-methoxyphenyl)-1-piperazinyl]-4-(methylthio)-1-butanone IUPAC Name: (2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one Traditional Name: (2S)-2-amino-1-[4-(4-methoxyphenyl)piperazino]-4-(methylthio)butan-1-one Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CCSC)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CCSC)N

InChI

InChI=1S/C16H25N3O2S/c1-21-14-5-3-13(4-6-14)18-8-10-19(11-9-18)16(20)15(17)7-12-22-2/h3-6,15H,7-12,17H2,1-2H3/t15-/m0/s1